4-chloro-3-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide

C20H22ClN5O2 — CID 7626649

IUPAC4-chloro-3-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2ncc(C(=O)NCCN3CCOCC3)c(Cl)c12
InChIInChI=1S/C20H22ClN5O2/c1-14-17-18(21)16(20(27)22-7-8-25-9-11-28-12-10-25)13-23-19(17)26(24-14)15-5-3-2-4-6-15/h2-6,13H,7-12H2,1H3,(H,22,27)
InChIKeyWCWNBWIONWBSNO-UHFFFAOYSA-N
MW399.88 g/mol
LogP2.44
Rot. Bonds5

About 4-chloro-3-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide

4-chloro-3-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 7626649) has the molecular formula C20H22ClN5O2 and a molecular weight of 399.88 g/mol. Its IUPAC name is 4-chloro-3-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-chloro-3-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID7626649
Molecular FormulaC20H22ClN5O2
Molecular Weight399.88 g/mol
Exact Mass399.15
IUPAC Name4-chloro-3-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2ncc(C(=O)NCCN3CCOCC3)c(Cl)c12
InChIInChI=1S/C20H22ClN5O2/c1-14-17-18(21)16(20(27)22-7-8-25-9-11-28-12-10-25)13-23-19(17)26(24-14)15-5-3-2-4-6-15/h2-6,13H,7-12H2,1H3,(H,22,27)
InChIKeyWCWNBWIONWBSNO-UHFFFAOYSA-N
XLogP2.44
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-3-methyl-N-(2-methylpropyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626606
4-chloro-N-[3-(dimethylamino)propyl]-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626634
4-chloro-1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxamide
CID 135253010
4-chloro-3-methyl-1-phenyl-N-(3-propan-2-yloxypropyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626641
4-chloro-3-methyl-1-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626683
5-chloro-3-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylpyrazole-4-carboxamide
CID 51155914
N-[(2R)-butan-2-yl]-4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626608
N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 18583506
5-methyl-N-(2-morpholin-4-ylethyl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42692539
4-chloro-N-(4-ethylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7423455
1-(2-chlorophenyl)-3,6-dimethyl-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 20863946
4-chloro-N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626788

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-chloro-3-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 7626649) is 4-chloro-3-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-chloro-3-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-chloro-3-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide is Cc1nn(-c2ccccc2)c2ncc(C(=O)NCCN3CCOCC3)c(Cl)c12.
What is the InChIKey of 4-chloro-3-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is WCWNBWIONWBSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O2/c1-14-17-18(21)16(20(27)22-7-8-25-9-11-28-12-10-25)13-23-19(17)26(24-14)15-5-3-2-4-6-15/h2-6,13H,7-12H2,1H3,(H,22,27).
What are the key properties of 4-chloro-3-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide?
4-chloro-3-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 399.88 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 7626649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).